REMARK  Name = BDB019076
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.552   0.539  -0.336  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1       -2.247  -0.515  -1.233  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -1.070  -1.198  -1.017  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -1.024  -2.202  -1.949  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -2.048  -2.155  -2.775  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -0.172  -0.865   0.013  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.468   0.101   0.845  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1       -2.820  -1.110  -2.333  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1       -1.656   0.778   0.647  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -5.146  -0.258   0.964  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -4.974   1.024   0.201  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -3.765   1.366  -0.394  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1       -3.759   2.576  -1.069  0.00  0.00    +0.122 A 
ATOM     14  N   LIG    1       -4.824   3.397  -1.165  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1       -5.937   2.968  -0.554  0.00  0.00    +0.221 A 
ATOM     16  N   LIG    1       -6.069   1.820   0.127  0.00  0.00    -0.240 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1        1.016  -1.542   0.175  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.420  -1.258   1.067  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.030  -1.499  -0.875  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.397  -1.294  -0.287  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.800  -0.078   0.258  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.049   1.189   0.441  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        4.210   2.117   0.798  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        5.301   1.324   1.321  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        5.065   0.073   0.814  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        5.978  -0.961   0.861  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.600  -2.186   0.312  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        4.327  -2.342  -0.253  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        4.000  -3.536  -0.767  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4